(3Z,5E)-6-(methylamino)-2-methylidene-1-(propan-2-ylamino)hexa-3,5-dien-1-ol

C11H20N2O — CID 89154009

IUPAC(3Z,5E)-6-(methylamino)-2-methylidene-1-(propan-2-ylamino)hexa-3,5-dien-1-ol
SMILESC=C(/C=C\C=C\NC)C(O)NC(C)C
InChIInChI=1S/C11H20N2O/c1-9(2)13-11(14)10(3)7-5-6-8-12-4/h5-9,11-14H,3H2,1-2,4H3/b7-5-,8-6+
InChIKeyRAPCJCCUTJVWFK-CGXWXWIYSA-N
MW196.29 g/mol
LogP1.15
Rot. Bonds6

About (3Z,5E)-6-(methylamino)-2-methylidene-1-(propan-2-ylamino)hexa-3,5-dien-1-ol

(3Z,5E)-6-(methylamino)-2-methylidene-1-(propan-2-ylamino)hexa-3,5-dien-1-ol (PubChem CID 89154009) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (3Z,5E)-6-(methylamino)-2-methylidene-1-(propan-2-ylamino)hexa-3,5-dien-1-ol.

Molecular Properties

Compound Name(3Z,5E)-6-(methylamino)-2-methylidene-1-(propan-2-ylamino)hexa-3,5-dien-1-ol
PubChem CID89154009
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(3Z,5E)-6-(methylamino)-2-methylidene-1-(propan-2-ylamino)hexa-3,5-dien-1-ol
SMILESC=C(/C=C\C=C\NC)C(O)NC(C)C
InChIInChI=1S/C11H20N2O/c1-9(2)13-11(14)10(3)7-5-6-8-12-4/h5-9,11-14H,3H2,1-2,4H3/b7-5-,8-6+
InChIKeyRAPCJCCUTJVWFK-CGXWXWIYSA-N
XLogP1.15
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,5E)-6-(methylamino)-2-methylidene-1-(propan-2-ylamino)hexa-3,5-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-6-(methylamino)-2-methylidene-1-(propan-2-ylamino)hexa-3,5-dien-1-ol?
The IUPAC name of (3Z,5E)-6-(methylamino)-2-methylidene-1-(propan-2-ylamino)hexa-3,5-dien-1-ol (CID 89154009) is (3Z,5E)-6-(methylamino)-2-methylidene-1-(propan-2-ylamino)hexa-3,5-dien-1-ol.
What is the SMILES notation for (3Z,5E)-6-(methylamino)-2-methylidene-1-(propan-2-ylamino)hexa-3,5-dien-1-ol?
The canonical SMILES for (3Z,5E)-6-(methylamino)-2-methylidene-1-(propan-2-ylamino)hexa-3,5-dien-1-ol is C=C(/C=C\C=C\NC)C(O)NC(C)C.
What is the InChIKey of (3Z,5E)-6-(methylamino)-2-methylidene-1-(propan-2-ylamino)hexa-3,5-dien-1-ol?
The InChIKey is RAPCJCCUTJVWFK-CGXWXWIYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(2)13-11(14)10(3)7-5-6-8-12-4/h5-9,11-14H,3H2,1-2,4H3/b7-5-,8-6+.
What are the key properties of (3Z,5E)-6-(methylamino)-2-methylidene-1-(propan-2-ylamino)hexa-3,5-dien-1-ol?
(3Z,5E)-6-(methylamino)-2-methylidene-1-(propan-2-ylamino)hexa-3,5-dien-1-ol has a molecular weight of 196.29 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-6-(methylamino)-2-methylidene-1-(propan-2-ylamino)hexa-3,5-dien-1-ol is sourced from PubChem (CID 89154009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).